Vitas-M small molecule compound

ethyl 5-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate

Catalog ID
STK453279
SMILES CCOC(=O)c1c(sc(c1c1ccc(cc1)C)C)NC(=O)c1cccc(c1C)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-5-30-23(27)20-19(16-11-9-13(2)10-12-16)15(4)31-22(20)24-21(26)17-7-6-8-18(14(17)3)25(28)29/h6-12H,5H2,1-4H3,(H,24,26)
InChIKey
UBJIJYRVPIUGMJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)C3=C(C(=CC=C3)(N+)(=O)(O))C
CCOC(=O)c1c(sc(c1c1ccc(cc1)C)C)NC(=O)c1cccc(c1C)(N+)(=O)(O)
ETHYL2((3NITRO2METHYLBENZOYL)AMINO)5METHYL4(4METHYLPHENYL)3THIOPHENECARBOXYLATE
ethyl5methyl2(((2methyl3nitrophenyl)carbonyl)amino)4(4methylphenyl)thiophene3carboxylate
ETHYL5METHYL2((2METHYL3NITROBENZOYL)AMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
ETHYL5METHYL2((2METHYL3NITROPHENYL)CARBONYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC23H22N2O5Sc153023(27)2019(1611913(2)101216)15(4)3122(20)2421(26)1776818(14(17)3)25(28)29h612H5H214H3(H2426)
MFCD02606066
ZINC000002760028
ZINC02760028
ZINC2760028

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.